#------------------------------------------------------------------------------
#$Date: 2016-03-22 13:02:56 +0200 (Tue, 22 Mar 2016) $
#$Revision: 178970 $
#$URL: svn://www.crystallography.net/cod/cif/4/11/99/4119944.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4119944
loop_
_publ_author_name
'Tae Kyung Kim'
'Kyung Joo Lee'
'Jae Yeong Cheon'
'Jae Hwa Lee'
'Sang Hoon Joo'
'Hoi Ri Moon'
_publ_contact_author_address
;
Interdisciplinary School of Green Energy and KIER-UNIST 
Advanced Center for Energy,
Ulsan National Institue of Science and Technology (UNIST), 
UNIST-gil 50, Ulsan 689-798, Republic of Korea
;
_publ_contact_author_email       hoirimoon@unist.ac.kr
_publ_contact_author_fax         '(+82) 52-217-2019'
_publ_contact_author_name        'Hoi Ri Moon'
_publ_contact_author_phone       '(+82) 52-217-2928'
_publ_section_title
;
 Nanoporous Metal Oxides with Tunable and Nanocrystalline Frameworks via
 Conversion of Metal-Organic Frameworks
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              8940
_journal_page_last               8946
_journal_paper_doi               10.1021/ja401869h
_journal_volume                  135
_journal_year                    2013
_chemical_formula_sum            'C56 H82 Mg8 N2 O36'
_chemical_formula_weight         1553.72
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.3
_audit_creation_date             2012-09-03T13:04:27-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90.000(5)
_cell_angle_beta                 122.628(5)
_cell_angle_gamma                90.000(5)
_cell_formula_units_Z            4
_cell_length_a                   35.558(5)
_cell_length_b                   13.495(5)
_cell_length_c                   29.699(5)
_cell_measurement_temperature    173(2)
_cell_volume                     12002(5)
_computing_cell_refinement       'Rigaku RAPID-II'
_computing_data_collection       'Rigaku RAPID-II'
_computing_data_reduction        'Rigaku RAPID-II'
_computing_publication_material  WinGX
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'image plate'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1721
_diffrn_reflns_av_unetI/netI     0.1924
_diffrn_reflns_limit_h_max       46
_diffrn_reflns_limit_h_min       -46
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       38
_diffrn_reflns_limit_l_min       -38
_diffrn_reflns_number            55468
_diffrn_reflns_theta_full        25
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.02
_exptl_absorpt_coefficient_mu    0.107
_exptl_absorpt_correction_T_max  0.989
_exptl_absorpt_correction_T_min  0.987
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'Rigaku RAPID'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    0.86
_exptl_crystal_description       rod
_exptl_crystal_F_000             3264
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.749
_refine_diff_density_min         -0.459
_refine_diff_density_rms         0.099
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.949
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     455
_refine_ls_number_reflns         13626
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.949
_refine_ls_R_factor_all          0.2133
_refine_ls_R_factor_gt           0.1025
_refine_ls_shift/su_max          0.101
_refine_ls_shift/su_mean         0.006
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1553P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2772
_refine_ls_wR_factor_ref         0.3232
_reflns_number_gt                5122
_reflns_number_total             13626
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja401869h_si_002.cif
_cod_data_source_block           Mg-aph-MOF
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4119944
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
C1 C 0.7500(2) 0.8975(4) 0.9291(2) 0.0420(14) Uani 1 1 d .
C2 C 0.75216(18) 0.8941(5) 0.9826(2) 0.0422(14) Uani 1 1 d .
H2A H 0.7441 0.9602 0.9894 0.051 Uiso 1 1 calc R
H2B H 0.7297 0.8462 0.9792 0.051 Uiso 1 1 calc R
C3 C 0.7972(2) 0.8654(5) 1.0297(2) 0.0466(15) Uani 1 1 d .
H3A H 0.8196 0.9155 1.035 0.056 Uiso 1 1 calc R
H3B H 0.8062 0.8009 1.0225 0.056 Uiso 1 1 calc R
C4 C 0.7965(2) 0.8574(5) 1.0810(2) 0.0494(16) Uani 1 1 d .
H4A H 0.7913 0.9239 1.0907 0.059 Uiso 1 1 calc R
H4B H 0.7715 0.814 1.0741 0.059 Uiso 1 1 calc R
C5 C 0.8403(2) 0.8154(5) 1.1277(2) 0.0451(15) Uani 1 1 d .
H5A H 0.8426 0.7444 1.121 0.054 Uiso 1 1 calc R
H5B H 0.8657 0.8506 1.1301 0.054 Uiso 1 1 calc R
C6 C 0.84282(17) 0.8260(5) 1.1791(2) 0.0410(14) Uani 1 1 d .
C7 C 0.75993(18) 0.6992(4) 0.8340(2) 0.0348(13) Uani 1 1 d .
C8 C 0.80470(19) 0.6582(4) 0.8749(2) 0.0464(15) Uani 1 1 d .
H8A H 0.8135 0.6861 0.9101 0.056 Uiso 1 1 calc R
H8B H 0.8265 0.6824 0.8664 0.056 Uiso 1 1 calc R
C9 C 0.8089(2) 0.5458(4) 0.8804(2) 0.0444(15) Uani 1 1 d .
H9A H 0.8364 0.5294 0.915 0.053 Uiso 1 1 calc R
H9B H 0.7833 0.5195 0.8811 0.053 Uiso 1 1 calc R
C10 C 0.81057(19) 0.4946(4) 0.8366(2) 0.0415(14) Uani 1 1 d .
H10A H 0.8343 0.5252 0.8334 0.05 Uiso 1 1 calc R
H10B H 0.7818 0.5049 0.8023 0.05 Uiso 1 1 calc R
C11 C 0.8193(2) 0.3853(4) 0.8460(2) 0.0399(14) Uani 1 1 d .
H11A H 0.7951 0.3552 0.8485 0.048 Uiso 1 1 calc R
H11B H 0.8476 0.3757 0.881 0.048 Uiso 1 1 calc R
C12 C 0.67736(16) 0.8297(5) 0.6959(2) 0.0361(13) Uani 1 1 d .
C13 C 0.92504(17) 0.8616(4) 1.3578(2) 0.0399(14) Uani 1 1 d .
C14 C 0.97546(19) 0.8539(5) 1.3869(2) 0.0530(17) Uani 1 1 d .
H14A H 0.9848 0.8748 1.3625 0.064 Uiso 1 1 calc R
H14B H 0.9843 0.7837 1.3966 0.064 Uiso 1 1 calc R
C15 C 1.00008(18) 0.9173(5) 1.4378(2) 0.0484(16) Uani 1 1 d .
H15A H 0.996 0.9882 1.4276 0.058 Uiso 1 1 calc R
H15B H 0.9866 0.9058 1.4591 0.058 Uiso 1 1 calc R
C16 C 1.04972(17) 0.8948(5) 1.4723(2) 0.0507(17) Uani 1 1 d .
H16A H 1.054 0.8261 1.486 0.061 Uiso 1 1 calc R
H16B H 1.0628 0.8996 1.4502 0.061 Uiso 1 1 calc R
C17 C 0.92661(18) 0.9651(5) 0.9815(3) 0.0552(18) Uani 1 1 d .
H17A H 0.9432 0.9686 0.9635 0.066 Uiso 1 1 calc R
H17B H 0.927 1.032 0.9955 0.066 Uiso 1 1 calc R
C18 C 0.87855(19) 0.9369(5) 0.9406(2) 0.0436(15) Uani 1 1 d .
C19 C 0.82740(17) 1.0543(5) 1.2958(2) 0.0367(13) Uani 1 1 d .
C20 C 0.8424(2) 1.0971(4) 1.2597(3) 0.0474(16) Uani 1 1 d .
H20A H 0.8728 1.0725 1.2726 0.057 Uiso 1 1 calc R
H20B H 0.8222 1.0717 1.2229 0.057 Uiso 1 1 calc R
C21 C 0.84280(19) 1.2084(5) 1.2578(3) 0.0476(16) Uani 1 1 d .
H21A H 0.8619 1.2294 1.2446 0.057 Uiso 1 1 calc R
H21B H 0.8563 1.2346 1.2945 0.057 Uiso 1 1 calc R
C22 C 0.79656(19) 1.2535(4) 1.2222(3) 0.0444(15) Uani 1 1 d .
H22A H 0.779 1.2427 1.2386 0.053 Uiso 1 1 calc R
H22B H 0.7809 1.2199 1.187 0.053 Uiso 1 1 calc R
C23 C 0.79950(18) 1.3661(4) 1.2141(2) 0.0381(13) Uani 1 1 d .
H23A H 0.8142 1.3991 1.2494 0.046 Uiso 1 1 calc R
H23B H 0.8187 1.3761 1.1997 0.046 Uiso 1 1 calc R
C24 C 0.74500(17) 0.9158(4) 1.3229(2) 0.0330(12) Uani 1 1 d .
O1 O 0.71192(12) 0.8936(3) 0.88724(14) 0.0420(10) Uani 1 1 d .
O2 O 0.78646(12) 0.9027(3) 0.93234(15) 0.0450(10) Uani 1 1 d .
O3 O 0.83989(12) 0.7507(3) 1.20369(14) 0.0369(9) Uani 1 1 d .
O4 O 0.84573(13) 0.9110(3) 1.19789(16) 0.0467(10) Uani 1 1 d .
O5 O 0.75300(12) 0.7916(3) 0.83647(15) 0.0389(9) Uani 1 1 d .
O6 O 0.76897(12) 0.8580(3) 1.20023(15) 0.0426(10) Uani 1 1 d .
O7 O 0.68258(13) 0.8764(3) 0.73528(15) 0.0433(10) Uani 1 1 d .
O8 O 0.83056(12) 0.7637(3) 1.31089(15) 0.0386(9) Uani 1 1 d .
O9 O 0.90361(12) 0.8507(3) 1.30801(15) 0.0453(10) Uani 1 1 d .
O10 O 0.90867(12) 0.8742(3) 1.38604(15) 0.0427(10) Uani 1 1 d .
O11 O 0.85120(11) 0.9934(3) 1.41265(14) 0.0389(9) Uani 1 1 d .
O12 O 0.86555(12) 0.8510(3) 0.93521(16) 0.0460(10) Uani 1 1 d .
O13 O 0.82797(12) 0.9612(3) 1.30024(14) 0.0365(9) Uani 1 1 d .
O14 O 0.81678(13) 0.8872(3) 0.81910(16) 0.0423(10) Uani 1 1 d .
O15 O 0.77957(12) 0.8643(3) 1.34640(15) 0.0398(9) Uani 1 1 d .
O16 O 0.74441(12) 0.9915(3) 0.82823(14) 0.0353(9) Uani 1 1 d .
Mg1 Mg 0.69536(6) 0.87910(14) 0.80988(7) 0.0362(5) Uani 1 1 d .
Mg2 Mg 0.83581(6) 0.85098(14) 1.25757(7) 0.0360(5) Uani 1 1 d .
Mg3 Mg 0.84497(6) 0.87125(14) 1.36876(7) 0.0350(5) Uani 1 1 d .
Mg4 Mg 0.79949(6) 0.90233(14) 0.87409(7) 0.0359(5) Uani 1 1 d .
OW1 O 0.86917(13) 0.7821(3) 1.43546(15) 0.0460(10) Uani 1 1 d .
OW2 O 0.63841(13) 0.9607(3) 0.78280(17) 0.0498(11) Uani 1 1 d .
C26 C 0.5789(3) 0.9327(9) 0.6895(5) 0.143(5) Uani 1 1 d .
H26A H 0.5475 0.9537 0.6691 0.214 Uiso 1 1 calc R
H26B H 0.5805 0.8604 0.688 0.214 Uiso 1 1 calc R
H26C H 0.5945 0.9632 0.6742 0.214 Uiso 1 1 calc R
N1 N 0.5762(4) 1.0542(9) 0.7469(5) 0.152(4) Uani 1 1 d .
C25 C 0.6023(5) 0.9676(11) 0.7516(6) 0.133(4) Uiso 1 1 d .
C28 C 0.5930(6) 1.1060(15) 0.7973(7) 0.242(11) Uani 1 1 d .
H28A H 0.572 1.1584 0.7923 0.362 Uiso 1 1 calc R
H28B H 0.6221 1.1354 0.8091 0.362 Uiso 1 1 calc R
H28C H 0.5962 1.0591 0.8243 0.362 Uiso 1 1 calc R
C27 C 0.5329(4) 1.0895(15) 0.7053(7) 0.243(10) Uani 1 1 d .
H27A H 0.5218 1.0488 0.6732 0.364 Uiso 1 1 calc R
H27B H 0.5353 1.1586 0.6971 0.364 Uiso 1 1 calc R
H27C H 0.5122 1.0851 0.7174 0.364 Uiso 1 1 calc R
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0 0 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.006 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mg Mg 0.0486 0.0363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
O1 C1 O2 127.0(5) . .
O1 C1 C2 116.5(5) . .
O2 C1 C2 116.5(5) . .
C3 C2 C1 113.7(5) . .
C2 C3 C4 111.2(5) . .
C5 C4 C3 111.8(5) . .
C6 C5 C4 111.3(5) . .
O4 C6 O3 118.9(5) . .
O4 C6 C5 119.3(6) . .
O3 C6 C5 121.8(6) . .
O4 C6 Mg2 59.2(3) . .
O3 C6 Mg2 59.9(3) . .
C5 C6 Mg2 171.9(4) . .
O6 C7 O5 123.3(5) 7_667 .
O6 C7 C8 118.8(5) 7_667 .
O5 C7 C8 117.9(5) . .
C7 C8 C9 117.1(5) . .
C10 C9 C8 114.4(5) . .
C9 C10 C11 113.0(5) . .
C10 C11 C12 115.6(5) . 4_646
O7 C12 O8 123.5(5) . 7_667
O7 C12 C11 118.8(5) . 4_656
O8 C12 C11 117.7(5) 7_667 4_656
O9 C13 O10 126.4(5) . .
O9 C13 C14 116.4(5) . .
O10 C13 C14 117.2(5) . .
C13 C14 C15 113.2(5) . .
C16 C15 C14 113.0(5) . .
C17 C16 C15 111.4(5) 2_757 .
C16 C17 C18 114.1(5) 2_757 .
O12 C18 O11 120.5(5) . 6_575
O12 C18 C17 121.6(5) . .
O11 C18 C17 117.8(5) 6_575 .
O12 C18 Mg4 61.9(3) . .
O11 C18 Mg4 58.7(3) 6_575 .
C17 C18 Mg4 176.3(5) . .
O14 C19 O13 124.6(6) 6_576 .
O14 C19 C20 118.3(5) 6_576 .
O13 C19 C20 117.0(5) . .
C21 C20 C19 114.5(5) . .
C20 C21 C22 113.4(5) . .
C21 C22 C23 111.2(5) . .
C24 C23 C22 114.6(5) 4_657 .
O15 C24 O16 124.0(5) . 6_576
O15 C24 C23 119.3(5) . 4_647
O16 C24 C23 116.7(5) 6_576 4_647
C1 O1 Mg1 128.3(4) . .
C1 O2 Mg4 129.9(4) . .
C6 O3 Mg1 141.8(4) . 7_667
C6 O3 Mg2 89.0(4) . .
Mg1 O3 Mg2 113.58(18) 7_667 .
C6 O4 Mg2 90.6(4) . .
C7 O5 Mg4 128.0(3) . .
C7 O5 Mg1 134.4(4) . .
Mg4 O5 Mg1 97.53(17) . .
C7 O6 Mg2 136.5(4) 7_667 .
C12 O7 Mg1 150.7(4) . .
C12 O8 Mg2 122.9(4) 7_667 .
C12 O8 Mg3 138.3(4) 7_667 .
Mg2 O8 Mg3 98.71(17) . .
C13 O9 Mg2 126.3(4) . .
C13 O10 Mg3 132.7(4) . .
C18 O11 Mg3 142.1(4) 6_576 .
C18 O11 Mg4 89.8(4) 6_576 6_576
Mg3 O11 Mg4 115.61(18) . 6_576
C18 O12 Mg4 88.2(3) . .
C19 O13 Mg2 130.6(4) . .
C19 O13 Mg3 129.8(4) . .
Mg2 O13 Mg3 96.39(17) . .
C19 O14 Mg4 134.4(4) 6_575 .
C24 O15 Mg3 139.5(4) . .
C24 O16 Mg4 125.9(3) 6_575 .
C24 O16 Mg1 137.2(4) 6_575 .
Mg4 O16 Mg1 96.18(17) . .
O7 Mg1 O1 174.59(19) . .
O7 Mg1 OW2 89.35(18) . .
O1 Mg1 OW2 90.83(18) . .
O7 Mg1 O3 90.98(17) . 7_667
O1 Mg1 O3 94.42(17) . 7_667
OW2 Mg1 O3 90.69(17) . 7_667
O7 Mg1 O5 89.96(17) . .
O1 Mg1 O5 89.99(16) . .
OW2 Mg1 O5 178.43(19) . .
O3 Mg1 O5 87.91(16) 7_667 .
O7 Mg1 O16 87.85(16) . .
O1 Mg1 O16 86.84(16) . .
OW2 Mg1 O16 102.43(18) . .
O3 Mg1 O16 166.81(17) 7_667 .
O5 Mg1 O16 78.95(16) . .
O7 Mg1 Mg4 99.41(13) . .
O1 Mg1 Mg4 77.14(12) . .
OW2 Mg1 Mg4 141.03(15) . .
O3 Mg1 Mg4 126.69(13) 7_667 .
O5 Mg1 Mg4 40.51(11) . .
O16 Mg1 Mg4 40.89(11) . .
O7 Mg1 Mg2 62.83(13) . 7_667
O1 Mg1 Mg2 122.14(14) . 7_667
OW2 Mg1 Mg2 107.95(14) . 7_667
O3 Mg1 Mg2 34.06(11) 7_667 7_667
O5 Mg1 Mg2 70.48(12) . 7_667
O16 Mg1 Mg2 136.70(12) . 7_667
Mg4 Mg1 Mg2 109.83(7) . 7_667
O9 Mg2 O6 173.17(18) . .
O9 Mg2 O8 89.75(17) . .
O6 Mg2 O8 96.91(17) . .
O9 Mg2 O13 92.73(17) . .
O6 Mg2 O13 89.82(16) . .
O8 Mg2 O13 80.93(16) . .
O9 Mg2 O4 87.22(17) . .
O6 Mg2 O4 85.95(17) . .
O8 Mg2 O4 167.02(19) . .
O13 Mg2 O4 111.80(18) . .
O9 Mg2 O3 91.04(16) . .
O6 Mg2 O3 85.66(16) . .
O8 Mg2 O3 106.35(17) . .
O13 Mg2 O3 171.83(17) . .
O4 Mg2 O3 61.13(16) . .
O9 Mg2 C6 90.68(17) . .
O6 Mg2 C6 83.40(17) . .
O8 Mg2 C6 137.4(2) . .
O13 Mg2 C6 141.6(2) . .
O4 Mg2 C6 30.17(17) . .
O3 Mg2 C6 31.05(17) . .
O9 Mg2 Mg3 79.46(12) . .
O6 Mg2 Mg3 106.59(13) . .
O8 Mg2 Mg3 41.00(12) . .
O13 Mg2 Mg3 42.89(11) . .
O4 Mg2 Mg3 149.73(14) . .
O3 Mg2 Mg3 145.17(13) . .
C6 Mg2 Mg3 169.79(14) . .
O9 Mg2 Mg1 107.46(14) . 7_667
O6 Mg2 Mg1 72.58(13) . 7_667
O8 Mg2 Mg1 78.63(13) . 7_667
O13 Mg2 Mg1 151.01(13) . 7_667
O4 Mg2 Mg1 90.25(13) . 7_667
O3 Mg2 Mg1 32.35(11) . 7_667
C6 Mg2 Mg1 60.72(16) . 7_667
Mg3 Mg2 Mg1 119.61(7) . 7_667
O11 Mg3 O10 95.78(16) . .
O11 Mg3 O15 87.54(16) . .
O10 Mg3 O15 176.09(18) . .
O11 Mg3 OW1 90.71(17) . .
O10 Mg3 OW1 86.45(17) . .
O15 Mg3 OW1 95.59(17) . .
O11 Mg3 O8 168.79(18) . .
O10 Mg3 O8 88.10(16) . .
O15 Mg3 O8 88.26(16) . .
OW1 Mg3 O8 100.04(17) . .
O11 Mg3 O13 91.54(16) . .
O10 Mg3 O13 86.25(16) . .
O15 Mg3 O13 91.61(16) . .
OW1 Mg3 O13 172.54(17) . .
O8 Mg3 O13 78.20(15) . .
O11 Mg3 Mg2 130.91(14) . .
O10 Mg3 Mg2 74.81(12) . .
O15 Mg3 Mg2 101.45(13) . .
OW1 Mg3 Mg2 135.08(14) . .
O8 Mg3 Mg2 40.29(11) . .
O13 Mg3 Mg2 40.72(11) . .
O11 Mg3 Mg4 32.72(11) . 6_576
O10 Mg3 Mg4 116.75(14) . 6_576
O15 Mg3 Mg4 65.35(12) . 6_576
OW1 Mg3 Mg4 115.38(13) . 6_576
O8 Mg3 Mg4 136.76(13) . 6_576
O13 Mg3 Mg4 69.51(11) . 6_576
Mg2 Mg3 Mg4 109.51(7) . 6_576
O2 Mg4 O14 173.37(19) . .
O2 Mg4 O5 88.79(17) . .
O14 Mg4 O5 89.63(17) . .
O2 Mg4 O16 89.39(16) . .
O14 Mg4 O16 96.78(16) . .
O5 Mg4 O16 82.30(16) . .
O2 Mg4 O11 93.94(17) . 6_575
O14 Mg4 O11 87.16(16) . 6_575
O5 Mg4 O11 174.84(17) . 6_575
O16 Mg4 O11 102.09(17) . 6_575
O2 Mg4 O12 85.92(17) . .
O14 Mg4 O12 88.87(17) . .
O5 Mg4 O12 114.46(17) . .
O16 Mg4 O12 162.44(18) . .
O11 Mg4 O12 61.46(15) 6_575 .
O2 Mg4 C18 90.14(19) . .
O14 Mg4 C18 87.38(19) . .
O5 Mg4 C18 144.3(2) . .
O16 Mg4 C18 133.4(2) . .
O11 Mg4 C18 31.54(17) 6_575 .
O12 Mg4 C18 29.92(17) . .
O2 Mg4 Mg1 77.29(12) . .
O14 Mg4 Mg1 105.64(13) . .
O5 Mg4 Mg1 41.96(11) . .
O16 Mg4 Mg1 42.93(11) . .
O11 Mg4 Mg1 143.02(13) 6_575 .
O12 Mg4 Mg1 150.33(14) . .
C18 Mg4 Mg1 166.49(17) . .
O2 Mg4 Mg3 111.19(14) . 6_575
O14 Mg4 Mg3 72.85(12) . 6_575
O5 Mg4 Mg3 150.00(13) . 6_575
O16 Mg4 Mg3 76.02(12) . 6_575
O11 Mg4 Mg3 31.66(11) 6_575 6_575
O12 Mg4 Mg3 89.91(13) . 6_575
C18 Mg4 Mg3 60.95(15) . 6_575
Mg1 Mg4 Mg3 118.86(7) . 6_575
C25 OW2 Mg1 145.7(8) . .
C27 N1 C25 133.0(14) . .
C27 N1 C28 112.3(13) . .
C25 N1 C28 113.6(12) . .
OW2 C25 N1 122.7(13) . .
OW2 C25 C26 125.0(12) . .
N1 C25 C26 102.3(11) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 O1 1.251(7) .
C1 O2 1.249(7) .
C1 C2 1.550(8) .
C2 C3 1.503(8) .
C3 C4 1.540(8) .
C4 C5 1.529(8) .
C5 C6 1.489(8) .
C6 O4 1.254(7) .
C6 O3 1.287(7) .
C6 Mg2 2.496(6) .
C7 O6 1.249(6) 7_667
C7 O5 1.282(6) .
C7 C8 1.493(7) .
C8 C9 1.524(8) .
C9 C10 1.501(8) .
C10 C11 1.503(8) .
C11 C12 1.512(7) 4_646
C12 O7 1.250(7) .
C12 O8 1.284(7) 7_667
C12 C11 1.512(7) 4_656
C13 O9 1.254(7) .
C13 O10 1.264(6) .
C13 C14 1.517(8) .
C14 C15 1.536(8) .
C15 C16 1.519(7) .
C16 C17 1.498(8) 2_757
C17 C16 1.498(8) 2_757
C17 C18 1.518(8) .
C18 O12 1.226(7) .
C18 O11 1.285(6) 6_575
C18 Mg4 2.456(6) .
C19 O14 1.236(6) 6_576
C19 O13 1.262(7) .
C19 C20 1.543(8) .
C20 C21 1.503(8) .
C21 C22 1.522(7) .
C22 C23 1.551(8) .
C23 C24 1.512(7) 4_657
C24 O15 1.248(6) .
C24 O16 1.263(6) 6_576
C24 C23 1.512(7) 4_647
O1 Mg1 2.051(4) .
O2 Mg4 2.018(4) .
O3 Mg1 2.063(4) 7_667
O3 Mg2 2.160(4) .
O4 Mg2 2.144(4) .
O5 Mg4 2.054(4) .
O5 Mg1 2.115(4) .
O6 C7 1.249(6) 7_667
O6 Mg2 2.048(4) .
O7 Mg1 2.008(4) .
O8 C12 1.284(7) 7_667
O8 Mg2 2.061(4) .
O8 Mg3 2.091(4) .
O9 Mg2 2.040(4) .
O10 Mg3 2.035(4) .
O11 C18 1.285(7) 6_576
O11 Mg3 2.038(4) .
O11 Mg4 2.098(4) 6_576
O12 Mg4 2.167(4) .
O13 Mg2 2.068(4) .
O13 Mg3 2.157(4) .
O14 C19 1.236(6) 6_575
O14 Mg4 2.042(4) .
O15 Mg3 2.047(4) .
O16 C24 1.263(6) 6_575
O16 Mg4 2.064(4) .
O16 Mg1 2.148(4) .
Mg1 OW2 2.050(4) .
Mg1 O3 2.063(4) 7_667
Mg1 Mg4 3.135(3) .
Mg1 Mg2 3.534(3) 7_667
Mg2 Mg3 3.150(3) .
Mg2 Mg1 3.534(3) 7_667
Mg3 OW1 2.068(4) .
Mg3 Mg4 3.500(3) 6_576
Mg4 O11 2.098(4) 6_575
Mg4 Mg3 3.500(3) 6_575
OW2 C25 1.112(14) .
C26 C25 1.630(15) .
N1 C27 1.438(14) .
N1 C25 1.451(15) .
N1 C28 1.456(16) .
